MMsINC Database Search


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MMsINC code: MMs00893400

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(C)c1cc(n(CC(=O)Nc2cc(C)c(cc2)C)c1C)-c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-15-10-11-20(12-16(15)2)24-23(27)14-25-17(3)21(18(4)26)13-22(25)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.854 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.68722	SlogP: 5.18806	Reactive groups: 0

Topological Properties
Globularity: 0.0951109	Sterimol/B1: 2.38274	Sterimol/B2: 3.94043	Sterimol/B3: 5.72712
Sterimol/B4: 8.44761	Sterimol/L: 16.9388

Surface and Volume Properties
Accessible surface: 645.29	Positive charged surface: 375.53	Negative charged surface: 269.76	Volume: 367.375
Hydrophobic surface: 576.787	Hydrophilic surface: 68.503

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.